Information card for entry 4501268

Structure parameters

• Chemical name: 1,3-adamantanedicarboxylic acid E-1,2-di(pyridine-4yl)diazene
• Formula: C22 H23 N4 O4
• Calculated formula: C22 H23 N4 O4
• SMILES: C12(CC3CC(C1)CC(C2)(C3)C(=O)O)C(=O)O.c1(ccncc1)/N=N/c1ccncc1
• Title of publication: Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds
• Authors of publication: Manjare, Yogesh; Pedireddi, V. R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 5079
• a: 6.3778 ± 0.0013 Å
• b: 25.714 ± 0.005 Å
• c: 6.5647 ± 0.0013 Å
• α: 90°
• β: 110.23 ± 0.03°
• γ: 90°
• Cell volume: 1010.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No